ChemSpider 2D Image | N-(4-{[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino}benzoyl)-L-glutamic acid | C21H21ClN6O5

N-(4-{[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC21H21ClN6O5
  • Average mass472.882 Da
  • Monoisotopic mass472.126190 Da
  • ChemSpider ID34240650

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Acide N-(4-{[(2,4-diamino-5-chloro-6-quinazolinyl)méthyl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]- [ACD/Index Name]
N-(4-{[(2,4-Diamino-5-chlor-6-chinazolinyl)methyl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.747
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 89.6±3.0 dyne/cm
Molar Volume: 302.7±3.0 cm3

Click to predict properties on the Chemicalize site


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